L5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C1 | C2 | doub | 1.35Å | 1.34Å | Aromatic |
| C1 | O | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.40Å | Aromatic |
| O | N | sing | 1.21Å | 1.42Å | Aromatic |
| C3 | N | doub | 1.31Å | 1.32Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| O1 | C4 | doub | 1.22Å | 1.22Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C6 | F2 | sing | 1.40Å | 1.34Å | |
| C6 | F | sing | 1.40Å | 1.33Å | |
| C6 | F1 | sing | 1.40Å | 1.32Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 134.2° | 126.7° |
| C | C1 | O | 116.3° | 126.6° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.4° | 109.5° |
| C2 | C1 | O | 109.4° | 106.7° |
| C1 | C2 | C3 | 105.3° | 103.9° |
| C1 | C2 | H7 | 127.4° | 128.0° |
| C1 | O | N | 109.0° | 111.8° |
| C2 | C3 | N | 112.0° | 106.1° |
| C2 | C3 | C4 | 128.0° | 127.0° |
| C3 | C2 | H7 | 127.4° | 128.1° |
| O | N | C3 | 104.4° | 111.4° |
| N | C3 | C4 | 119.9° | 126.9° |
| C3 | C4 | O1 | 120.9° | 120.0° |
| C3 | C4 | N1 | 117.2° | 120.0° |
| O1 | C4 | N1 | 121.9° | 120.0° |
| C4 | N1 | C5 | 121.7° | 120.0° |
| C4 | N1 | H3 | 119.1° | 120.0° |
| N1 | C5 | C6 | 111.2° | 109.4° |
| N1 | C5 | H1 | 109.0° | 109.5° |
| N1 | C5 | H2 | 109.0° | 109.5° |
| C5 | N1 | H3 | 119.1° | 120.0° |
| C5 | C6 | F2 | 112.1° | 109.5° |
| C5 | C6 | F | 112.2° | 109.5° |
| C5 | C6 | F1 | 112.0° | 109.5° |
| C6 | C5 | H1 | 109.0° | 109.5° |
| C6 | C5 | H2 | 109.1° | 109.4° |
| F2 | C6 | F | 106.7° | 109.4° |
| F2 | C6 | F1 | 106.4° | 109.5° |
| F | C6 | F1 | 106.9° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H4 | C | H5 | 109.4° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O | 179.4° | 179.9° |
| C | C1 | C2 | C3 | 179.0° | 180.0° |
| C | C1 | O | N | 179.5° | 180.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 119.9° |
| C | C1 | C2 | H7 | 1.0° | 0.1° |
| C1 | C2 | C3 | H7 | 180.0° | 179.9° |
| C2 | C1 | O | N | 0.0° | 0.1° |
| C1 | C2 | C3 | N | 0.7° | 0.0° |
| C1 | C2 | C3 | C4 | 174.6° | 179.9° |
| C2 | C1 | C | H4 | 179.4° | 90.0° |
| C2 | C1 | C | H5 | 60.6° | 150.0° |
| C2 | C1 | C | H6 | 59.3° | 30.1° |
| O | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | O | N | C3 | 0.4° | 0.0° |
| O | C1 | C | H4 | 0.0° | 89.9° |
| O | C1 | C | H5 | 120.0° | 30.1° |
| O | C1 | C | H6 | 120.0° | 150.0° |
| O | C1 | C2 | H7 | 179.6° | 180.0° |
| C2 | C3 | N | O | 0.6° | 0.0° |
| C2 | C3 | N | C4 | 175.7° | 180.0° |
| C2 | C3 | C4 | O1 | 136.8° | 0.2° |
| C2 | C3 | C4 | N1 | 41.7° | 179.9° |
| O | N | C3 | C4 | 175.1° | 180.0° |
| N | C3 | C4 | O1 | 38.2° | 179.7° |
| N | C3 | C4 | N1 | 143.3° | 0.1° |
| N | C3 | C2 | H7 | 179.4° | 180.0° |
| C3 | C4 | O1 | N1 | 178.5° | 179.8° |
| C3 | C4 | N1 | C5 | 165.7° | 180.0° |
| C3 | C4 | N1 | H3 | 14.3° | 0.1° |
| C4 | C3 | C2 | H7 | 5.4° | 0.0° |
| O1 | C4 | N1 | C5 | 12.8° | 0.2° |
| O1 | C4 | N1 | H3 | 167.2° | 179.8° |
| C4 | N1 | C5 | H3 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 89.2° | 180.0° |
| C4 | N1 | C5 | H1 | 31.1° | 60.0° |
| C4 | N1 | C5 | H2 | 150.6° | 60.1° |
| N1 | C5 | C6 | H1 | 120.2° | 120.0° |
| N1 | C5 | C6 | H2 | 120.2° | 120.0° |
| N1 | C5 | C6 | F2 | 164.5° | 60.0° |
| N1 | C5 | C6 | F | 44.3° | 180.0° |
| N1 | C5 | C6 | F1 | 75.9° | 60.0° |
| N1 | C5 | H1 | H2 | 119.2° | 120.1° |
| C5 | C6 | F2 | F | 123.3° | 120.0° |
| C5 | C6 | F2 | F1 | 122.9° | 120.0° |
| C5 | C6 | F | F1 | 123.2° | 120.0° |
| C6 | C5 | H1 | H2 | 119.3° | 120.0° |
| C6 | C5 | N1 | H3 | 90.8° | 0.0° |
| F2 | C6 | F | F1 | 113.6° | 119.9° |
| F2 | C6 | C5 | H1 | 44.2° | 180.0° |
| F2 | C6 | C5 | H2 | 75.3° | 60.0° |
| F | C6 | C5 | H1 | 75.9° | 60.0° |
| F | C6 | C5 | H2 | 164.6° | 60.0° |
| F1 | C6 | C5 | H1 | 163.9° | 60.0° |
| F1 | C6 | C5 | H2 | 44.3° | 180.0° |
| H1 | C5 | N1 | H3 | 148.9° | 120.0° |
| H2 | C5 | N1 | H3 | 29.5° | 120.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
